Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1ccccc1Cl)c1cccnc1 |
MW: | 447.966 |
Fraction sp3: | 0.19 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 62.3 |
cLogP: | 5.93150000000001 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-9
0.790
LON-WEI-adc59df6-34
0.747
LON-WEI-adc59df6-18
0.744
LON-WEI-adc59df6-33
0.726
LON-WEI-adc59df6-3
0.707
LON-WEI-d1c9908a-9
0.698
LON-WEI-8f408cad-8
0.688
LON-WEI-adc59df6-21
0.679
LON-WEI-adc59df6-16
0.678
LON-WEI-adc59df6-44
0.675
LON-WEI-adc59df6-30
0.671
LON-WEI-d1c9908a-3
0.670
LON-WEI-adc59df6-41
0.667
LON-WEI-d1c9908a-12
0.667
LON-WEI-d1c9908a-7
0.659
LON-WEI-b8d98729-41
0.659
LON-WEI-adc59df6-14
0.659
LON-WEI-adc59df6-45
0.656
LON-WEI-adc59df6-46
0.644
LON-WEI-adc59df6-35
0.643
LON-WEI-adc59df6-31
0.639
LON-WEI-adc59df6-29
0.639
LON-WEI-adc59df6-5
0.636
LON-WEI-adc59df6-15
0.629
LON-WEI-adc59df6-12
0.629
LON-WEI-adc59df6-37
0.629
LON-WEI-d1c9908a-10
0.629
LON-WEI-adc59df6-8
0.628
LON-WEI-adc59df6-20
0.625
LON-WEI-adc59df6-17
0.624
LON-WEI-adc59df6-26
0.624
LON-WEI-adc59df6-40
0.621
LON-WEI-adc59df6-28
0.616
LON-WEI-adc59df6-39
0.614
LON-WEI-b8d98729-33
0.611
LON-WEI-adc59df6-27
0.609
BRU-LEF-8bac3ce8-1
0.609
LON-WEI-adc59df6-24
0.609
LON-WEI-adc59df6-1
0.607
NIM-NMI-8bb27a2b-21
0.604
LON-WEI-adc59df6-10
0.602
LON-WEI-adc59df6-36
0.602
LON-WEI-adc59df6-43
0.602
LON-WEI-adc59df6-4
0.602
LON-WEI-adc59df6-22
0.593
RAL-MED-9a5eb9cb-9
0.593
LON-WEI-b8d98729-36
0.589
LON-WEI-adc59df6-11
0.589
RAL-MED-9a5eb9cb-10
0.585
RAL-MED-9a5eb9cb-12
0.583
ERI-UCB-fbdd3ea1-4
0.583
LON-WEI-adc59df6-23
0.582
LON-WEI-b8d98729-19
0.582
LON-WEI-b8d98729-35
0.582
LON-WEI-adc59df6-2
0.582
LON-WEI-adc59df6-13
0.582
LON-WEI-adc59df6-6
0.574
NIM-NMI-8bb27a2b-22
0.573
RIT-AID-af4ac3d4-1
0.571
LON-WEI-adc59df6-7
0.570
LON-WEI-b8d98729-37
0.568
LON-WEI-adc59df6-32
0.564
PAU-WEI-5b8d5051-1
0.564
LON-WEI-adc59df6-47
0.564
LON-POS-586a7c45-1
0.564
LON-WEI-adc59df6-19
0.564
LON-WEI-adc59df6-82
0.563
LON-WEI-adc59df6-38
0.559
LON-WEI-adc59df6-25
0.558
LON-WEI-adc59df6-91
0.557
LON-WEI-b8d98729-27
0.554
NIM-NMI-8bb27a2b-17
0.552
LON-WEI-b8d98729-7
0.547
NIM-NMI-8bb27a2b-25
0.543
LON-WEI-adc59df6-80
0.535
NIM-NMI-8bb27a2b-19
0.533
NIM-NMI-8bb27a2b-24
0.533
LON-WEI-b8d98729-24
0.533
JAN-GHE-d851b096-4
0.533
LON-WEI-b8d98729-39
0.531
ERI-UCB-fbdd3ea1-2
0.531
ERI-UCB-fbdd3ea1-1
0.531
LON-WEI-b8d98729-6
0.529
RAL-MED-9a5eb9cb-15
0.527
NIM-NMI-8bb27a2b-16
0.527
NIM-NMI-8bb27a2b-23
0.527
NIM-NMI-8bb27a2b-26
0.526
LON-WEI-b8d98729-13
0.521
LON-WEI-b8d98729-28
0.520
LON-WEI-d1c9908a-1
0.517
NIM-NMI-8bb27a2b-15
0.516
NIM-NMI-8bb27a2b-28
0.516
LON-WEI-b8d98729-22
0.516
LON-WEI-d1c9908a-2
0.516
LON-WEI-d1c9908a-13
0.515
LON-WEI-b8d98729-10
0.511
BRU-LEF-973da26b-1
0.511
NIM-NMI-8bb27a2b-18
0.511
NIM-NMI-8bb27a2b-20
0.511
LON-WEI-b8d98729-40
0.510